Geometry & MOs

Info

ID:

115463

PubChem CID:

50523592

Reduced:

BrClO4N5C26H31 (1)

Stoich.:

ABC4D5E26F31 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-159.83

Dipole, Da:

5.89

IP(EA), eV:

 -9.08(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)C)Br

DOS

IR

Vibrations